6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one

C19H16FN3O2 — CID 95867221

IUPAC6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccc(F)cc2c1=O)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C19H16FN3O2/c20-12-6-7-15-13(10-12)18(24)14(11-22-15)19(25)23-9-3-5-17(23)16-4-1-2-8-21-16/h1-2,4,6-8,10-11,17H,3,5,9H2,(H,22,24)/t17-/m0/s1
InChIKeyQONJADFPNVQFCM-KRWDZBQOSA-N
MW337.35 g/mol
LogP3.04
Rot. Bonds2

About 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one

6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 95867221) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID95867221
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccc(F)cc2c1=O)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C19H16FN3O2/c20-12-6-7-15-13(10-12)18(24)14(11-22-15)19(25)23-9-3-5-17(23)16-4-1-2-8-21-16/h1-2,4,6-8,10-11,17H,3,5,9H2,(H,22,24)/t17-/m0/s1
InChIKeyQONJADFPNVQFCM-KRWDZBQOSA-N
XLogP3.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
(2-chloro-4,5-difluorophenyl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94803151
3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 51091748
6-fluoro-3-[(1S,5R)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carbonyl]-1H-quinolin-4-one
CID 163317576
3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 124879493
3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
CID 56818810
6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 97276651
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxo-6-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridine-4-carboxamide
CID 54720505
3-[(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-6-fluoro-1H-quinolin-4-one
CID 124939093
1-[2-[(2R)-2-pyridin-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 95874922
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 166384198

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one (CID 95867221) is 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one is O=C(c1c[nH]c2ccc(F)cc2c1=O)N1CCC[C@H]1c1ccccn1.
What is the InChIKey of 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is QONJADFPNVQFCM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-12-6-7-15-13(10-12)18(24)14(11-22-15)19(25)23-9-3-5-17(23)16-4-1-2-8-21-16/h1-2,4,6-8,10-11,17H,3,5,9H2,(H,22,24)/t17-/m0/s1.
What are the key properties of 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one?
6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 337.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(2S)-2-pyridin-2-ylpyrrolidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 95867221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).